Basic information
- CAS
83200-09-3- Standard SMILES
Oc1c(Br)cc(Br)cc1CNC1CCC(O)CC1- InChIKey
GEDPQKGMHLHFOZ-UHFFFAOYSA-N- Molecular formula
- C13H17Br2NO2
- Average molar mass
- 379.09 g/mol
- Monoisotopic mass
- 376.9626
Overview
See also: Dembrexine (annotation moved to).
Names & identifiers
- Preferred name
- Dembrexine
- IUPAC
- 2,4-dibromo-6-[[(4-hydroxycyclohexyl)amino]methyl]phenol
- English name
- Dembrexine
- Molecular formula
- C13H17Br2NO2
- Molecular weight
- 379.09
Names & synonyms
Dembrexine83200-09-3DembrexinaDembroxolSputolosin2,4-dibromo-6-[[(4-hydroxycyclohexyl)amino]methyl]phenoltrans-4-((3,5-Dibromosalicyl)amino)cyclohexanolDembrexine (INN)4F61F502T5DEMBREXINE [INN]DembrexinumDembroxolum
Show more names
Phenol, 2,4-dibromo-6-(trans-4-hydroxycyclohexyl)aminomethyl-
Dembrexinum [Latin]Dembrexina [Spanish]Dembrexine [INN:BAN]2,4-dibromo-6-{[(4-hydroxycyclohexyl)amino]methyl}phenolDembrexinUNII-4F61F502T5Sputolosin (TN)DEMBREXINE [MART.]
Database identifiers
- CAS
83200-09-3- PubChem CID
- 72009
- DTXSID
DTXSID10868698- ChEMBL
CHEMBL2106163- UNII
- 4F61F502T5
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 450.303 · 450.303±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.758 · 1.758±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.957 · 6.957±0.48(predicted)
- FDA UNII
- 4 F61F502T5 · 4F61F502T5
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Suppliers3 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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